2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid 2-phthalimidoethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O7S/c1-2-29-15-7-9-16(10-8-15)31(27,28)22-12-11-19(24)30-14-13-23-20(25)17-5-3-4-6-18(17)21(23)26/h3-10,22H,2,11-14H2,1H3